2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol

C11H18O2 — CID 103170227

IUPAC2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol
SMILESOC(CC1CCC1)C1=COCCC1
InChIInChI=1S/C11H18O2/c12-11(7-9-3-1-4-9)10-5-2-6-13-8-10/h8-9,11-12H,1-7H2
InChIKeyGGKMBJSVIUKAFR-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.23
Rot. Bonds3

About 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol

2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol (PubChem CID 103170227) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol
PubChem CID103170227
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol
SMILESOC(CC1CCC1)C1=COCCC1
InChIInChI=1S/C11H18O2/c12-11(7-9-3-1-4-9)10-5-2-6-13-8-10/h8-9,11-12H,1-7H2
InChIKeyGGKMBJSVIUKAFR-UHFFFAOYSA-N
XLogP2.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol (CID 103170227) is 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol is OC(CC1CCC1)C1=COCCC1.
What is the InChIKey of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol?
The InChIKey is GGKMBJSVIUKAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-11(7-9-3-1-4-9)10-5-2-6-13-8-10/h8-9,11-12H,1-7H2.
What are the key properties of 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol?
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol has a molecular weight of 182.26 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanol is sourced from PubChem (CID 103170227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).